2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid

C12H13NO2S2 — CID 82894113

IUPAC2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2cccs2)s1
InChIInChI=1S/C12H13NO2S2/c14-12(15)6-9-3-4-11(17-9)8-13-7-10-2-1-5-16-10/h1-5,13H,6-8H2,(H,14,15)
InChIKeyVMTBOQFGQYLFJS-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.73
Rot. Bonds6

About 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid

2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid (PubChem CID 82894113) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
PubChem CID82894113
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2cccs2)s1
InChIInChI=1S/C12H13NO2S2/c14-12(15)6-9-3-4-11(17-9)8-13-7-10-2-1-5-16-10/h1-5,13H,6-8H2,(H,14,15)
InChIKeyVMTBOQFGQYLFJS-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-[5-[[(3-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894827
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894885
2-[5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894251
2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 114182928
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
2-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82886489

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid (CID 82894113) is 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(CNCc2cccs2)s1.
What is the InChIKey of 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The InChIKey is VMTBOQFGQYLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c14-12(15)6-9-3-4-11(17-9)8-13-7-10-2-1-5-16-10/h1-5,13H,6-8H2,(H,14,15).
What are the key properties of 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid has a molecular weight of 267.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).